CAS No.452-58-4,2,3-Diaminopyridine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	452-58-4
Name:	2,3-Diaminopyridine
Article Data:	27

Formula:	C₅H₇N₃
Molecular Weight:	109.131
Synonyms:	2,3-Pyridinediamine (9CI);Pyridine-2,3-diyldiamine;pyridine-2,3-diamine;Pyridine, 2,3-diamino-;5-22-11-00241 (Beilstein Handbook Reference);1H-pyridine-5,6-diamine;2, 3-Pyridinediamine;
EINECS:	207-200-9
Density:	1.251 g/cm³
Melting Point:	110-115 °C(lit.)
Boiling Point:	311.3 °C at 760 mmHg
Flash Point:	167.7 °C
Solubility:	100 g/L (20 °C) in water
Appearance:	brown power
Hazard Symbols:	Xn, Xi, T
Risk Codes:	22-36/37/38-25
Safety:	26-36/37-45-37/39-28A-36
Transport Information:	UN 2811
PSA:	64.93000
LogP:	1.40840

Synthetic route

: 101458-28-0
3,3'-dinitro-2,2'-hydrazobipyridine

: 452-58-4
2,3-Diaminopyridine

Conditions

Conditions	Yield
With hydrogen; nickel In ethanol under 3102.9 Torr; for 3h; Ambient temperature;	92%

: 4214-75-9
2-amino-3-nitropyridine

: 452-58-4
2,3-Diaminopyridine

Conditions

Conditions	Yield
With sulfur; sodium hydroxide In methanol; water at 80℃; for 16h; Green chemistry;	89%
With hydrogen; palladium on activated charcoal In ethyl acetate at 20 - 35℃; under 3102.9 Torr; other solvent;	80%
With hydrogenchloride; ethanol; iron

: 15367-16-5
2-Hydrazino-3-nitropyridine

: 452-58-4
2,3-Diaminopyridine

Conditions

Conditions	Yield
With hydrogen; nickel In tetrahydrofuran; ethanol at 65℃; under 3102.9 Torr; for 16h;	70%
Multi-step reaction with 2 steps 1: 31 percent / (C2H5)3N / ethanol / 96 h / Heating 2: 92 percent / H2 / Raney Ni / ethanol / 3 h / 3102.9 Torr / Ambient temperature View Scheme

: 385377-29-7
2-amino-3-nitropyridine 1-oxide

: 452-58-4
2,3-Diaminopyridine

Conditions

Conditions	Yield
With sulfur; sodium hydroxide In methanol; water at 80℃; for 16h; Green chemistry;	68%

: 6298-19-7
2-chloro-3-aminopyridine

: 452-58-4
2,3-Diaminopyridine

Conditions

Conditions	Yield
With zinc ammonium chloride at 220℃; for 5h; Autoclave;	60%
With ammonium hydroxide; copper(II) sulfate at 130℃; under 13239.1 Torr;

: 28664-54-2
2-nitro-3-azidopyridine

: 452-58-4
2,3-Diaminopyridine

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol for 0.5h;	50%
With hydrazine hydrate In ethanol for 0.5h; Mechanism;	50%

: benzyl N-(2-amino-6-chloropyridin-3-yl)carbamate

A: 452-58-4
2,3-Diaminopyridine

B: 40851-95-4
6-chloropyridine-2,3-diamine

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen; sodium hydrogencarbonate In methanol at 20℃; under 760.051 Torr; for 2h; Sealed tube; Overall yield = 87 %Spectr.; chemoselective reaction;	A 45% B 42%

: 3723-70-4
benzyl-(3-nitro-pyridin-2-yl)-amine

: 452-58-4
2,3-Diaminopyridine

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol at 80℃; under 3102.9 Torr; for 18h;	41%

: 928163-52-4
2-amino-3-azidopyridine

: 78-84-2
isobutyraldehyde

A: 452-58-4
2,3-Diaminopyridine

B: 21714-53-4
2-(1-methylethyl)imidazo[4,5-b]pyridine

Conditions

Conditions	Yield
In ethanol for 24h; Heating;	A 33% B 8%

...Expand

: 6945-68-2
5-bromo-3-nitro-pyridin-2-ylamine

: 452-58-4
2,3-Diaminopyridine

Conditions

Conditions	Yield
With sulfuric acid; zinc In methanol; water at 90℃; for 48h;	20%
With sodium hydroxide; aluminum nickel

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Specification

The 2,3-diaminopyridine, with the cas registry number 452-58-4, has the IUPAC name of pyridine-2,3-diamine. This is a kind of brown power and is sensitive to air. Besides, its product categories are various, including pyridines, pyrimidines, purines and pteredines; amines; pyridines derivates; highly purified reagents; other categories; refined products by sublimation; boronic acid; c5; heterocyclic building blocks.

The characteristics of this kind of chemical are as follows: (1)ACD/LogP: 0.27; (2)ACD/LogD (pH 5.5): -0.55; (3) ACD/LogD (pH 7.4): 0.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.06; (7)ACD/KOC (pH 7.4): 31.19; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 19.37; (12)Index of Refraction: 1.676; (13)Molar Refractivity: 32.81 cm³; (14)Molar Volume: 87.2 cm³; (15)Polarizability: 13 ×10^-24cm³; (16)Surface Tension: 70.9 dyne/cm; (17)Density: 1.251 g/cm³; (18)Flash Point: 167.7 °C; (19)Enthalpy of Vaporization: 55.22 kJ/mol; (20)Boiling Point: 311.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00057 mmHg at 25°C; (22)Exact Mass: 109.063997; (23)MonoIsotopic Mass:109.063997; (24)Topological Polar Surface Area: 64.9; (25)Heavy Atom Count: 8; (26)Formal Charge: 0; (27)Complexity: 74.1.

The production method of this chemical is as below: 3-nitro-pyridin-2-ylamine could react to produce 2,3-diaminopyridine, with the following condition: reagent: iron; concentrated aqueous HCl; ethanol.

The use of this chemical is as below: 2,3-diaminopyridine could react with 2-oxo-propionic acid ethyl ester to produce 2-methyl-4H-pyrido[2,3-b]pyrazin-3-one, with the following condition: reagent: benzene.

When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. For being a kind of irritant chemical, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. Then it is a kind of toxic chemical which may cause damage to health. Therefore, you should take the following instructions. Wear suitable gloves and eye/face protection and protective clothing. If in case of contacting with eyes, rinse immediately with plenty of WATER and seek medical advice, and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). Besides, after contacting with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

Additionally, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: C1=CC(=C(N=C1)N)N
(2)InChI: InChI=1S/C5H7N3/c6-4-2-1-3-8-5(4)7/h1-3H,6H2,(H2,7,8)
(3)InChIKey: ZZYXNRREDYWPLN-UHFFFAOYSA-N

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	25mg/kg (25mg/kg)		Journal of Medicinal Chemistry. Vol. 8, Pg. 296, 1965.